1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C14H23N3OS — CID 110747826

IUPAC1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C(=O)NCC(C)(C)C)C2CC2)cs1
InChIInChI=1S/C14H23N3OS/c1-10-16-11(8-19-10)7-17(12-5-6-12)13(18)15-9-14(2,3)4/h8,12H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyDBVGOUVPOSQDCA-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.17
Rot. Bonds4

About 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 110747826) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID110747826
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CN(C(=O)NCC(C)(C)C)C2CC2)cs1
InChIInChI=1S/C14H23N3OS/c1-10-16-11(8-19-10)7-17(12-5-6-12)13(18)15-9-14(2,3)4/h8,12H,5-7,9H2,1-4H3,(H,15,18)
InChIKeyDBVGOUVPOSQDCA-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 110718285
N-cyclopropyl-2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718279
3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94181824
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
N-(2,2-dimethylpropyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 110747501
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 110747826) is 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CN(C(=O)NCC(C)(C)C)C2CC2)cs1.
What is the InChIKey of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is DBVGOUVPOSQDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-16-11(8-19-10)7-17(12-5-6-12)13(18)15-9-14(2,3)4/h8,12H,5-7,9H2,1-4H3,(H,15,18).
What are the key properties of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 281.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 110747826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).